LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task

units		lj
atom_style  charge

read_data data.cloud_wall
  orthogonal box = (0 0 0) to (10 10 10)
  1 by 2 by 2 MPI processor grid
  reading atoms ...
  300 atoms

velocity	all set 0.0 0.0 0.0 mom no

pair_style	zero 1.0
pair_coeff	* *

neighbor	1.0 bin
neigh_modify	delay 0

fix     1 all nve
kspace_style scafacos ewald  0.001
kspace_modify scafacos tolerance field

timestep	0.005

thermo_style custom step atoms cpu temp pe ke etotal ecoul press

run_style verlet

#dump simple all custom 1000 id x y z vx vy vz
#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
#dump_modify dmpvtk pad 7

thermo 10
run	100
Setting up ScaFaCoS with solver ewald ...
WARNING: Virial computation for Ewald not available (src/SCAFACOS/scafacos.cpp:107)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2
  ghost atom cutoff = 2
  binsize = 1, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair zero, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.333 | 3.333 | 3.333 Mbytes
Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
       0      300            0            0   0.49647271            0   0.49647271            0            0 
      10      300   0.04107213  0.015454603   0.47336798  0.023104631   0.49647261            0 0.0046209262 
      20      300  0.083310604  0.062286838   0.40335451  0.093118823   0.49647334            0  0.018623765 
      30      300   0.12387085   0.14309258    0.2825546   0.21392341   0.49647801            0  0.042784682 
      40      300    0.1672492   0.52823732   0.08958779   0.78971479   0.87930258            0   0.15794296 
      50      300   0.21049809    1.1912156 -0.082808834    1.7808674    1.6980585            0   0.35617347 
      60      300   0.25216699    1.3877079  -0.37658402    2.0746234    1.6980393            0   0.41492467 
      70      300   0.29355645    1.7017671  -0.84569366    2.5441418    1.6984482            0   0.50882837 
      80      300   0.33713698    15.128456    -3.370646    22.617042    19.246396            0    4.5234083 
      90      300   0.38109112    41.994547   -2.2024419    62.781847    60.579406            0    12.556369 
     100      300    0.4267664    41.352114  -0.92449496    61.821411    60.896916            0    12.364282 
Loop time of 0.426857 on 4 procs for 100 steps with 300 atoms

Performance: 101204.784 tau/day, 234.270 timesteps/s
97.1% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.6689e-05 | 1.8835e-05 | 2.2173e-05 |   0.0 |  0.00
Kspace  | 0.42368    | 0.42384    | 0.42405    |   0.0 | 99.29
Neigh   | 0.00040579 | 0.00056726 | 0.00075126 |   0.0 |  0.13
Comm    | 0.0010395  | 0.0010909  | 0.001189   |   0.2 |  0.26
Output  | 0.00015545 | 0.00034326 | 0.00090313 |   0.0 |  0.08
Modify  | 9.8705e-05 | 0.00010544 | 0.00011539 |   0.0 |  0.02
Other   |            | 0.0008868  |            |       |  0.21

Nlocal:    75 ave 81 max 70 min
Histogram: 2 0 0 0 0 0 0 1 0 1
Nghost:    282.5 ave 290 max 274 min
Histogram: 1 0 0 1 0 0 0 0 1 1
Neighs:    616.25 ave 983 max 283 min
Histogram: 1 1 0 0 0 0 0 1 0 1

Total # of neighbors = 2465
Ave neighs/atom = 8.21667
Neighbor list builds = 15
Dangerous builds = 0
Total wall time: 0:00:00
